1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

C19H32N4O3 — CID 87013783

IUPAC1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1noc(C)c1CN(C)CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1
InChIInChI=1S/C19H32N4O3/c1-13(2)22(6)19(25)16-7-9-23(10-8-16)18(24)12-21(5)11-17-14(3)20-26-15(17)4/h13,16H,7-12H2,1-6H3
InChIKeyQSFWYGPYGIQFKM-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.83
Rot. Bonds6

About 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 87013783) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID87013783
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1noc(C)c1CN(C)CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1
InChIInChI=1S/C19H32N4O3/c1-13(2)22(6)19(25)16-7-9-23(10-8-16)18(24)12-21(5)11-17-14(3)20-26-15(17)4/h13,16H,7-12H2,1-6H3
InChIKeyQSFWYGPYGIQFKM-UHFFFAOYSA-N
XLogP1.83
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 87013783) is 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is Cc1noc(C)c1CN(C)CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1.
What is the InChIKey of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is QSFWYGPYGIQFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-13(2)22(6)19(25)16-7-9-23(10-8-16)18(24)12-21(5)11-17-14(3)20-26-15(17)4/h13,16H,7-12H2,1-6H3.
What are the key properties of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 87013783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).